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4-Chloro-2-methyl-N-phenyl-benzene-sulfonamide.

ABSTRACT: There are two mol-ecules in the asymmetric unit of the title compound, C(13)H(12)ClNO(2)S, with similar conformations. The orientations of the ortho-methyl groups in the sulfonyl benzene rings are in the direction of the N-H bonds of the sulfonamide groups. In the crystal, the mol-ecules are each linked into centrosymmetric dimers through N-H?O hydrogen bonds and packed into a layered structure diagonally in the bc plane.

SUBMITTER: Gowda BT

PROVIDER: S-EPMC2968641 | biostudies-literature | 2009 Feb

REPOSITORIES: biostudies-literature

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4-Chloro-2-methyl-N-phenyl-benzene-sulfonamide.

Gowda B Thimme BT Foro Sabine S Nirmala P G PG Babitha K S KS Fuess Hartmut H

Acta crystallographica. Section E, Structure reports online 20090206 Pt 3

There are two mol-ecules in the asymmetric unit of the title compound, C(13)H(12)ClNO(2)S, with similar conformations. The orientations of the ortho-methyl groups in the sulfonyl benzene rings are in the direction of the N-H bonds of the sulfonamide groups. In the crystal, the mol-ecules are each linked into centrosymmetric dimers through N-H⋯O hydrogen bonds and packed into a layered structure diagonally in the bc plane. ...[more]

PMID: 21582145

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4-Chloro-N-phenyl-benzene-sulfonamide.

Project description:In the crystal of the title compound, C(12)H(10)ClNO(2)S, the asymmetric unit contains two independent mol-ecules. The N-C bonds in the C-SO(2)-NH-C segments have gauche torsions with respect to the S=O bonds. The mol-ecules are twisted at the S atoms with C-SO(2)-NH-C torsion angles of -53.8?(3) and -63.4?(3)° in the two mol-ecules. The benzene rings are tilted relative to each other by 69.1?(1) and 82.6?(1)°. The dihedral angle between the sulfonyl benzene rings of the two independent mol-ecules is 23.7?(2)°. The crystal structure features inversion-related dimers linked by N-H?O hydrogen bonds.

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Project description:The asymmetric unit of the title compound, C(14)H(12)ClNO(3)S, contains two independent mol-ecules. The conformations of the N-C bonds in the C-SO(2)-NH-C(O) segments have gauche torsions with respect to the S=O bonds. The mol-ecules are twisted at the S atoms with torsion angles of -54.2?(2) and 63.8?(2)° in the two mol-ecules. The dihedral angles between the sulfonyl benzene rings and the -SO(2)-NH-C-O segments are 85.0?(1) and 87.0?(1)°. Furthermore, the dihedral angles between the sulfonyl and benzoyl benzene rings are 89.4?(1) and 82.4?(1)° in the two mol-ecules. In the crystal, mol-ecules are linked by N-H?O(S) hydrogen bonds.

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